N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C19H25F4N3O4 — CID 90204287

IUPACN-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)[C@H](C)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1
InChIInChI=1S/C19H25F4N3O4/c1-10(17(3,4)16(28)24-5)26-15(27)13-6-14(30-11(2)19(21,22)23)12(7-25-13)18(20)8-29-9-18/h6-7,10-11H,8-9H2,1-5H3,(H,24,28)(H,26,27)/t10-,11-/m0/s1
InChIKeyURQYLCIMOIAEDV-QWRGUYRKSA-N
MW435.42 g/mol
LogP2.50
Rot. Bonds7

About N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90204287) has the molecular formula C19H25F4N3O4 and a molecular weight of 435.42 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90204287
Molecular FormulaC19H25F4N3O4
Molecular Weight435.42 g/mol
Exact Mass435.18
IUPAC NameN-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)[C@H](C)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1
InChIInChI=1S/C19H25F4N3O4/c1-10(17(3,4)16(28)24-5)26-15(27)13-6-14(30-11(2)19(21,22)23)12(7-25-13)18(20)8-29-9-18/h6-7,10-11H,8-9H2,1-5H3,(H,24,28)(H,26,27)/t10-,11-/m0/s1
InChIKeyURQYLCIMOIAEDV-QWRGUYRKSA-N
XLogP2.50
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90204287) is N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)C(C)(C)[C@H](C)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1.
What is the InChIKey of N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is URQYLCIMOIAEDV-QWRGUYRKSA-N. The full InChI is InChI=1S/C19H25F4N3O4/c1-10(17(3,4)16(28)24-5)26-15(27)13-6-14(30-11(2)19(21,22)23)12(7-25-13)18(20)8-29-9-18/h6-7,10-11H,8-9H2,1-5H3,(H,24,28)(H,26,27)/t10-,11-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90204287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).